1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea

C13H19N3O4 — CID 3059255

IUPAC1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea
SMILESCCCNC(=O)N(C(N)=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H19N3O4/c1-4-7-15-13(18)16(12(14)17)9-5-6-10(19-2)11(8-9)20-3/h5-6,8H,4,7H2,1-3H3,(H2,14,17)(H,15,18)
InChIKeyMWCRAKFASCCORX-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.71
Rot. Bonds5

About 1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea

1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea (PubChem CID 3059255) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea.

Molecular Properties

Compound Name1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea
PubChem CID3059255
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea
SMILESCCCNC(=O)N(C(N)=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C13H19N3O4/c1-4-7-15-13(18)16(12(14)17)9-5-6-10(19-2)11(8-9)20-3/h5-6,8H,4,7H2,1-3H3,(H2,14,17)(H,15,18)
InChIKeyMWCRAKFASCCORX-UHFFFAOYSA-N
XLogP1.71
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-(2-methoxyethyl)-1-methylurea
CID 110422993
2-(3,4-dimethoxyphenyl)-2-oxo-N-propylacetamide
CID 94269258
N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891
1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea
CID 43136229
2-(aminomethyl)-3-(3,4-dimethoxyphenyl)-N-propylpropanamide
CID 62095764
2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
3-[(3,4-dimethoxyphenyl)methylamino]-N-propylpropanamide
CID 61061288
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
methyl 3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174204
N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
1-butyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-propylurea
CID 108891350
4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
CID 47325512

Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea?
The IUPAC name of 1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea (CID 3059255) is 1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea.
What is the SMILES notation for 1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea?
The canonical SMILES for 1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea is CCCNC(=O)N(C(N)=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea?
The InChIKey is MWCRAKFASCCORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-4-7-15-13(18)16(12(14)17)9-5-6-10(19-2)11(8-9)20-3/h5-6,8H,4,7H2,1-3H3,(H2,14,17)(H,15,18).
What are the key properties of 1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea?
1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea has a molecular weight of 281.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-1-(3,4-dimethoxyphenyl)-3-propylurea is sourced from PubChem (CID 3059255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).